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Dynamical heterogeneities in a supercooled Lennard-Jones liquid

Walter Kob·Claudio Donati·Steven J. Plimpton·Peter H. Poole·Sharon C. Glotzer
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Abstract

We present the results of a large scale molecular dynamics computer simulation study in which we investigate whether a supercooled Lennard-Jones liquid exhibits dynamical heterogeneities. We evaluate the non-Gaussian parameter for the self part of the van Hove correlation function and use it to identify ``mobile'' particles. We find that these particles form clusters whose size grows with decreasing temperature. We also find that the relaxation time of the mobile particles is significantly shorter than that of the bulk, and that this difference increases with decreasing temperature.

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Walter Kob, Claudio Donati, Steven J. Plimpton, Peter H. Poole, Sharon C. Glotzer. 1997-06-08. Dynamical heterogeneities in a supercooled Lennard-Jones liquid. https://doi.org/10.1103/physrevlett.79.2827

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